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1004-39-3 | 2(1H)-Pyrimidinethione, 4,6-diamino-
CAS No: 1004-39-3 Catalog No: AG0001WX MDL No:MFCD00006078
Product Description
Catalog Number:
AG0001WX
Chemical Name:
2(1H)-Pyrimidinethione, 4,6-diamino-
CAS Number:
1004-39-3
Molecular Formula:
C4H6N4S
Molecular Weight:
142.1822
MDL Number:
MFCD00006078
IUPAC Name:
4,6-diamino-1H-pyrimidine-2-thione
InChI:
InChI=1S/C4H6N4S/c5-2-1-3(6)8-4(9)7-2/h1H,(H5,5,6,7,8,9)
InChI Key:
QCAWOHUJKPKOMD-UHFFFAOYSA-N
SMILES:
Nc1cc(N)[nH]c(=S)n1
EC Number:
213-721-2
UNII:
0VP6I0FY3O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.031g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
142.18g/mol
Monoisotopic Mass:
142.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| 4,6-Diaminopyrimidine-2(1H)-thione hemihydrate: a three-dimensional hydrogen-bonded framework. | Acta crystallographica. Section C, Crystal structure communications 20121001 |
| Determination of ammonium ion using a reagentless amperometric biosensor based on immobilized alanine dehydrogenase. | Sensors (Basel, Switzerland) 20110101 |
| Raman characterization of monolayers formed from mixtures of sodium 2-mercaptoethanesulfonate and various aromatic mercapto-derivative bases. | The journal of physical chemistry. B 20100422 |
| Bis(4,6-diamino-pyrimidin-2-yl) disulfide dimethyl sufoxide disolvate. | Acta crystallographica. Section E, Structure reports online 20080901 |
| Synthesis, Spectroscopic, and Anticancerous Properties of Mixed Ligand Palladium(II) and Silver(I) Complexes with 4,6-Diamino-5-hydroxy-2-mercaptopyrimidine and 2,2'-Bipyridyl. | Metal-based drugs 20080101 |
| Mediatorless voltammetric oxidation of NADH and sensing of ethanol. | Biosensors & bioelectronics 20051215 |
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